2-phenoxy-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
2-phenoxy-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0874 |
| Compound Name: | 2-phenoxy-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(COc1ccccc1)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9461 |
| logD: | 1.946 |
| logSw: | -2.0621 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.496 |
| InChI Key: | HNZZLNVRCFMPBB-UHFFFAOYSA-N |